S-(1,7-diphenylheptan-4-yl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate

Systemtic Name: S-(1,7-diphenylheptan-4-yl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Openeye Name: S-[4-phenyl-1-(3-phenylpropyl)butyl] 1-(p-tolylsulfonyl)piperidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarbothioic acid S-(1,7-diphenylheptan-4-yl) ester IUPAC Name: S-(1,7-diphenylheptan-4-yl) 1-(4-methylphenyl)sulfonylpiperidine-2-carbothioate Traditional Name: 1-tosylpiperidine-2-carbothioic acid S-[4-phenyl-1-(3-phenylpropyl)butyl] ester Formula: C32H39NO3S2 MolecularWeight: 549.78696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)SC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C32H39NO3S2/c1-26-21-23-30(24-22-26)38(35,36)33-25-9-8-20-31(33)32(34)37-29(18-10-16-27-12-4-2-5-13-27)19-11-17-28-14-6-3-7-15-28/h2-7,12-15,21-24,29,31H,8-11,16-20,25H2,1H3